4-(2-hydroxyethyl)-4-methoxy-2-phenylcyclobut-2-en-1-one

C13H14O3 — CID 10398466

IUPAC4-(2-hydroxyethyl)-4-methoxy-2-phenylcyclobut-2-en-1-one
SMILESCOC1(CCO)C=C(c2ccccc2)C1=O
InChIInChI=1S/C13H14O3/c1-16-13(7-8-14)9-11(12(13)15)10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3
InChIKeyBCFUKOWPDURWLI-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.42
Rot. Bonds4

About 4-(2-hydroxyethyl)-4-methoxy-2-phenylcyclobut-2-en-1-one

4-(2-hydroxyethyl)-4-methoxy-2-phenylcyclobut-2-en-1-one (PubChem CID 10398466) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-4-methoxy-2-phenylcyclobut-2-en-1-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-4-methoxy-2-phenylcyclobut-2-en-1-one
PubChem CID10398466
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name4-(2-hydroxyethyl)-4-methoxy-2-phenylcyclobut-2-en-1-one
SMILESCOC1(CCO)C=C(c2ccccc2)C1=O
InChIInChI=1S/C13H14O3/c1-16-13(7-8-14)9-11(12(13)15)10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3
InChIKeyBCFUKOWPDURWLI-UHFFFAOYSA-N
XLogP1.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-hydroxyethyl)-4-methoxy-2-phenylcyclobut-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-4-methoxy-2-phenylcyclobut-2-en-1-one?
The IUPAC name of 4-(2-hydroxyethyl)-4-methoxy-2-phenylcyclobut-2-en-1-one (CID 10398466) is 4-(2-hydroxyethyl)-4-methoxy-2-phenylcyclobut-2-en-1-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-4-methoxy-2-phenylcyclobut-2-en-1-one?
The canonical SMILES for 4-(2-hydroxyethyl)-4-methoxy-2-phenylcyclobut-2-en-1-one is COC1(CCO)C=C(c2ccccc2)C1=O.
What is the InChIKey of 4-(2-hydroxyethyl)-4-methoxy-2-phenylcyclobut-2-en-1-one?
The InChIKey is BCFUKOWPDURWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-16-13(7-8-14)9-11(12(13)15)10-5-3-2-4-6-10/h2-6,9,14H,7-8H2,1H3.
What are the key properties of 4-(2-hydroxyethyl)-4-methoxy-2-phenylcyclobut-2-en-1-one?
4-(2-hydroxyethyl)-4-methoxy-2-phenylcyclobut-2-en-1-one has a molecular weight of 218.25 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-4-methoxy-2-phenylcyclobut-2-en-1-one is sourced from PubChem (CID 10398466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).